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学者姓名：黄淑萍
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Abstract ：
The oxidative dehydrogenation of propane (ODHP) represents a highly promising route for the industrial-scale production of propene. Non-metallic boron nitride (BN)-based materials, known for their high propene selectivity, have emerged as next-generation ODH catalysts. However, the real active sites on surfaces remain unclear due to the absence of visual experimental evidence. In this work, we introduce a chemical titration approach to clarify the active centers of NaOH modified BN (BN-NaOH) catalysts for ODHP. The BN-NaOH catalyst demonstrates outstanding performance, achieving over 90 % olefin selectivity and a stable propane conversion of 23.2 %. Notably, the turnover frequency (TOF) for B-OH sites reaching 1.2 h- 1, which significantly surpassed that of unmodified BN catalysts (0.6 h- 1). In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) analysis revealed that the formation of OH-nests on the BN-NaOH surface was primarily accountable for the enhanced reactivity. Moreover, the crucial role of these OH-nests during ODHP was further validated through selective chemical titration of B-OH groups using benzoic anhydride.
Keyword ：
Active sites Active sites Boron hydroxyl group Boron hydroxyl group In situ DRIFTS In situ DRIFTS Oxidative dehydrogenation of propane Oxidative dehydrogenation of propane
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| GB/T 7714 | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis [J]. | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
| MLA | Duan, Qiwei et al. "Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis" . | CHEMICAL ENGINEERING SCIENCE 306 (2025) . |
| APA | Duan, Qiwei , Hu, Zhengli , Hu, Aoxue , Huang, Shuping , Chen, Ziyi , Yu, Kaihua et al. Identification of active sites in boron nitride for propane oxidative dehydrogenation catalysis . | CHEMICAL ENGINEERING SCIENCE , 2025 , 306 . |
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Inorganic mixed-halogen perovskites exhibit excellent photovoltaic properties and stability; yet, their photoelectric conversion efficiency is limited by inherent surface defects. In this work, we study the impact of defects on properties of CsPbI2Br slabs using first-principles calculations, focusing on specific defects such as I vacancy (V-I), I interposition (I-i), and I substitution by Pb (Pb-I). Our findings reveal that these defects affect the geometric and optoelectronic properties as well as dynamics of charge carriers of slabs. We employ two theoretical frameworks (surface hopping and Redfield theory) of nonadiabatic molecular dynamics simulations to comprehensively study relaxation processes and obtain consistent results. The presence of V-I reduces carrier lifetimes, while the influence of Pb-I on carrier lifetimes is negligible. In contrast, I-i defects lead to prolonged carrier lifetimes. These insights provide valuable guidance for the rational design of perovskite photovoltaic devices, aiming to enhance their efficiency and stability.
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| GB/T 7714 | Liu, Bao , Wang, Zhaoxin , Huang, Shuping et al. Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) : 4782-4791 . |
| MLA | Liu, Bao et al. "Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 15 . 18 (2024) : 4782-4791 . |
| APA | Liu, Bao , Wang, Zhaoxin , Huang, Shuping , Han, Yulun , Kilin, Dmitri S. . Effects of Surface Defects on Performance and Dynamics of CsPbI2Br Perovskite: First-Principles Nonadiabatic Molecular Dynamics Simulations . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2024 , 15 (18) , 4782-4791 . |
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Electroactive asymmetric bis-carbazole small molecules bearing cyano functional group(s) were conveniently synthesized and fully characterized by physicochemical and electrochemical methods. These carbazole-based small molecules are colorless in the neutral states and possess reversible redox processes and outstanding thermal stability. The utilization of these bis-carbazole small molecules as the electrochromic materials for the fabrication of electrochromic devices (ECDs) provided high-performance ECDs of high optical contrast up to 99% switching between colorless bleaching state and dark-red colored state and excellent coloration efficiencies of 412 cm2/C. The present work illuminates the excellent qualification of functionalized carbazole-based small molecules in developing efficient ECDs.
Keyword ：
Carbazole derivatives Carbazole derivatives Cyano functionalization Cyano functionalization Electrochromic devices Electrochromic devices Electrochromism Electrochromism Smart windows Smart windows
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| GB/T 7714 | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun et al. Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism [J]. | DYES AND PIGMENTS , 2024 , 226 . |
| MLA | Li, Meng -Die et al. "Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism" . | DYES AND PIGMENTS 226 (2024) . |
| APA | Li, Meng -Die , Zhang, Ying-Hui , Yin, Junjun , Huang, Shuping , Dai, Feng-Rong , Chen, Zhong-Ning . Cyano-functionalized bis-carbazole derivatives for high contrast electrochromism . | DYES AND PIGMENTS , 2024 , 226 . |
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Eu3+-activated red-emitting inorganic phosphors have been favored highly for their classical 5D0→7FJ (J = 0, 1, 2, 3, 4) emissions. However, the fatal drawbacks of poor luminous efficacy and weak 5D0→7F4 transition persist, resulting in the ongoing challenge of achieving far-red emission. This research reports series of highly efficient far-red phosphors LnTeBO5 (Ln = La3+, Y3+, Gd3+):Eu3+ with anomalously strong 5D0→7F4 transition, resulting from the distorted square antiprism [Ln/EuO8]. Both the luminous efficacy and thermal stability can be greatly enhanced via the simple composition variation. [Ln/EuO8] square antiprism-triggered 5D0→7F2,4 transitions are elucidated in depth, acquiring ultra-high luminous efficacy (IQE = 95%, EQE = 40%, and AE = 42%) and near-zero thermal quenching (99%@150°C and 98%@200°C). Subsequently, the versatile utilizations in indoor lighting, plant growth lighting, and security ink are illustrated. This finding establishes a deep understanding for constructing high-quality far-red phosphors via the Eu3+-centered structural units of square antiprism. © 2024 Wiley-VCH GmbH.
Keyword ：
borotellurate borotellurate compositional engineering compositional engineering far-red emission far-red emission security ink security ink solid-state lighting solid-state lighting
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| GB/T 7714 | Li, H. , Niu, Y. , Liu, C. et al. Unraveling the Remarkable Influence of Square Antiprism Geometry on Highly Efficient Far-Red Emission of Eu3+ in Borotellurate Phosphors for Versatile Utilizations [J]. | Laser and Photonics Reviews , 2024 , 18 (12) . |
| MLA | Li, H. et al. "Unraveling the Remarkable Influence of Square Antiprism Geometry on Highly Efficient Far-Red Emission of Eu3+ in Borotellurate Phosphors for Versatile Utilizations" . | Laser and Photonics Reviews 18 . 12 (2024) . |
| APA | Li, H. , Niu, Y. , Liu, C. , Jiang, H. , Li, J. , Wu, J. et al. Unraveling the Remarkable Influence of Square Antiprism Geometry on Highly Efficient Far-Red Emission of Eu3+ in Borotellurate Phosphors for Versatile Utilizations . | Laser and Photonics Reviews , 2024 , 18 (12) . |
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Carbon materials have stimulated tremendous interest in oxidative dehydrogenation (ODH) of alkane to olefin molecules at low temperature. Unfortunately, its further development has been seriously hindered due to the unsatisfactory catalytic performance. To tackle these challenges, nitrogen and phosphorus codoped hollow carbon prisms (NPC) are designed with controllable surface functional groups through supramolecular preassembly and substitution reaction from guanine and hexachlorotriphosphazene. The resultant catalysts can achieve both high catalytic activity (63 % conversion) and styrene selectivity (90 %) in ODH of ethylbenzene, outerperforming previous reported carbon-based catalysts. Structural characterizations, kinetics measurements and theoretical results unravel that nitrogen doping can promote nucleophilicity of -C--O, thus improving the catalytic activity. The phosphorus doping not only changes reaction rate-determining step from activation of O2 in N-doped carbon to activation of -C-H bond of EB in N,P-codoped carbon, but also inhibits the formation of electrophilic oxygen species, which enhances selectivity of styrene. The current work provides a facile strategy for preparation of functional NPC catalyst and physical-chemical insights on the structure-activity relationship of NPC catalysts, paving the way for further development of the highly efficient non-metallic catalytic systems.
Keyword ：
Carbon prism Carbon prism Catalytic mechanism Catalytic mechanism Guanine Guanine Heteroatom doping Heteroatom doping Oxidative dehydrogenation Oxidative dehydrogenation
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| GB/T 7714 | Zhang, Xuefei , Hu, Aoxue , Li, Shuchun et al. N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity [J]. | CHEMICAL ENGINEERING JOURNAL , 2024 , 486 . |
| MLA | Zhang, Xuefei et al. "N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity" . | CHEMICAL ENGINEERING JOURNAL 486 (2024) . |
| APA | Zhang, Xuefei , Hu, Aoxue , Li, Shuchun , Feng, Ruiping , Huang, Shuping , Xie, Zailai . N, P codoped hollow carbon prisms for efficient oxidative dehydrogenation reaction with both enhanced activity and selectivity . | CHEMICAL ENGINEERING JOURNAL , 2024 , 486 . |
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Boroncarbonitrides (BCNs) are recently developed new catalytic system for efficient oxidative dehydrogenation (ODH) of alkanes to alkenes. Herein, a series of novel hierarchical BCN materials are synthesized using asymmetric hydrogen bonds self -assembly between methylguanidine and boric acid, along with ammonia deposition. The XRD, S(T)EM, and XPS characterizations confirm the presence of ternary BCN solid solution covered by small serrated -like BCN nanosheets materials in the 2D plates. The unique hierarchical structure and developed mesoporosity of the BCN material contribute to its outstanding catalytic performance. The optimal catalyst delivers robust catalytic performance and long-term stability in the ODH of propane reaction with propylene and total olefin selectivity of 74.7% and 89.7% at a stable 20.4% propane conversion, much better than BCN sheets and h-BN catalyst. Results show that the in -situ formation of suitable amounts of amorphous BOX species within the BCN structure, along with the maintenance of the 2D skeleton at elevated temperatures, is a significant contribution in the enhanced ODH reactivity. Moreover, density functional theory calculation also demonstrates that the presence appropriate carbon content in BCN catalysts can significantly promote the ODH of propane reaction.
Keyword ：
BCN catalysts BCN catalysts Hierarchical nanosheets Hierarchical nanosheets Oxidative dehydrogenation of propane Oxidative dehydrogenation of propane
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| GB/T 7714 | Wang, Guangming , Hu, Aoxue , Duan, Qiwei et al. Hierarchical boroncarbonitride nanosheets as metal-free catalysts for enhanced oxidative dehydrogenation of propane [J]. | CHEMICAL ENGINEERING SCIENCE , 2024 , 288 . |
| MLA | Wang, Guangming et al. "Hierarchical boroncarbonitride nanosheets as metal-free catalysts for enhanced oxidative dehydrogenation of propane" . | CHEMICAL ENGINEERING SCIENCE 288 (2024) . |
| APA | Wang, Guangming , Hu, Aoxue , Duan, Qiwei , Cui, Longji , Chen, Ziyi , Huang, Zelong et al. Hierarchical boroncarbonitride nanosheets as metal-free catalysts for enhanced oxidative dehydrogenation of propane . | CHEMICAL ENGINEERING SCIENCE , 2024 , 288 . |
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Cr3+ doped garnet-type (A(3)B(2)C(3)O(12)) near-infrared (NIR) phosphors is a desirable research hotspot due to their prospective night vision, bioimaging, and plant growth utilizations. Meanwhile, the origin of multisite broad emission is yet a controversial topic. To resolve the trouble, verifying accurately the multiple Cr3+ occupancy sites is a key. Furthermore, it is an urgent need for improving the external quantum efficiency and luminescent thermostability. Herein, in Y3Sc2Al3O12 (YSAO), advanced electron microscopy technique is employed to directly confirm that the obtained broadband NIR emission originates from Cr3+ in [ScO6] octahedral and [YO8] dodecahedral sites. The optimal YSAO:5%Cr3+ sample exhibits high quantum efficiency (IQE/EQE = 74/31%) and near-zero thermal quenching (97%@423 K and 92%@473 K). The theoretical calculations and experimental proofs reveal that YSAO possesses high structural rigidity and wide bandgap, which is responsible for the extremely thermostable luminescence. The high-power YSAO:5%Cr3+-converted NIR LED device shows promising multifunctional applications. This work not only provides an efficient NIR broadband phosphor with near-zero thermal quenching, but also provides an effective determination method for the multiple emitting centers of phosphor materials.
Keyword ：
garnet garnet multiple occupancy sites of Cr3+ multiple occupancy sites of Cr3+ near-zero thermal quenching near-zero thermal quenching NIR pc-LED NIR pc-LED NIR phosphors NIR phosphors
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| GB/T 7714 | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor [J]. | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
| MLA | Li, Hong et al. "Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor" . | ADVANCED OPTICAL MATERIALS 12 . 11 (2024) . |
| APA | Li, Hong , Jiao, Jingkai , Xiang, Xianfeng , Wu, Jianze , Hu, Wanbiao , Xie, Jiyang et al. Directly Identifying Multiple Cr3+ Emitting Centers for Broad Near-Infrared Emission in an Efficient and Near-Zero Thermal Quenching Garnet-Type Phosphor . | ADVANCED OPTICAL MATERIALS , 2024 , 12 (11) . |
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Our density functional theory calculations reveal that CrX3 (X = Cl, Br, I) is ferromagnetic, exhibiting remarkable stability, electrical conductivity, and mechanical properties. Notably, CrX3 monolayer exhibit low diffusion barriers when employed as anode materials for lithium, sodium, and potassium ion batteries. Specifically, the diffusion barriers in CrX3 monolayer range from 0.145 to 0.216 eV for lithium-ion, 0.185–0.199 eV for Na-ion, and 0.067 eV for K-ion. Furthermore, CrCl₃ as an anode material for sodium-ion batteries, has a theoretical specific capacity of up to 1420 mAh/g, significantly exceeding that of hard carbon materials widely used in sodium-ion batteries, which usually have a specific capacity of only between 300 and 400 mAh/g. These findings suggest that CrX3 monolayer hold significant potential as ideal replacements for metal-ion battery anodes. © 2024 Elsevier Ltd
Keyword ：
Alkali metals Alkali metals Anodes Anodes Binary alloys Binary alloys Monolayers Monolayers Sodium-ion batteries Sodium-ion batteries
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| GB/T 7714 | Wu, Jianze , Yin, Junjun , Huang, Shuping . CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries [J]. | Journal of Energy Storage , 2024 , 101 . |
| MLA | Wu, Jianze et al. "CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries" . | Journal of Energy Storage 101 (2024) . |
| APA | Wu, Jianze , Yin, Junjun , Huang, Shuping . CrX3 (X = Cl, Br, I) monolayer as a promising anode for alkali metal ion batteries . | Journal of Energy Storage , 2024 , 101 . |
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With a view to developing highly efficient photosensitizers for photodynamic therapy, herein, we prepared a series of tetra-substituted zinc(II) phthalocyanine analogues (ZPOP, ZPSP, ZPNP, and ZPNPM) modified with O-, S-, and N-bridging substituents, respectively. Compared to O- and S-bridging analogues, the N-bridging phthalocyanines showed eminent red-shifted Q band absorption (750-780 nm) and excellent reactive oxygen species (ROS) generation ability (Phi Delta = 0.90-0.97), due to the HOMO destabilization, as well as the smaller Delta EST. To improve the hydrophility and biocompatibility, we further prepared two N-bridging zinc(II) phthalocyanines (ZPN1 and ZPN2) modified with morpholine and N,N-dimethylamine moieties, respectively, along with their quaternized counterparts (QZPN1 and QZPN2). These compounds exhibited NIR-absorbing Q bands at 774-777 nm and efficient ROS generation ability in aqueous solutions, especially formulated with 1 % Cremophor EL (Cel). In vitro studies indicated that ZPN2 exhibited the highest photodynamic activity against HepG2 cells (IC50 = 0.44 +/- 0.02 mu M), because of superior cellular uptake and moderate ROS generation ability. Moreover, ZPN2 could selectively accumulate and retain in tumor tissue of H22 tumor-bearing mice. The work presents a new strategy for the development of NIR-absorbing photosensitizers.
Keyword ：
N -bridging phthalocyanine N -bridging phthalocyanine Near-infrared Near-infrared Photodynamic therapy Photodynamic therapy Reactive oxygen species Reactive oxygen species
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| GB/T 7714 | Ke, Mei-Rong , Wang, Chao , He, Qinxue et al. N-bridging tetra-substituted zinc(II) phthalocyanines with Q-band absorption up to 780 nm and eminent photosensitizing activities for photodynamic therapy [J]. | DYES AND PIGMENTS , 2024 , 227 . |
| MLA | Ke, Mei-Rong et al. "N-bridging tetra-substituted zinc(II) phthalocyanines with Q-band absorption up to 780 nm and eminent photosensitizing activities for photodynamic therapy" . | DYES AND PIGMENTS 227 (2024) . |
| APA | Ke, Mei-Rong , Wang, Chao , He, Qinxue , Que, Rongbin , Wei, Ying , Zheng, Bi-Yuan et al. N-bridging tetra-substituted zinc(II) phthalocyanines with Q-band absorption up to 780 nm and eminent photosensitizing activities for photodynamic therapy . | DYES AND PIGMENTS , 2024 , 227 . |
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Graphitic carbon nitride (CxNy) has a two-dimensional structure similar to N-doped graphene, which is nitrogen - rich and contains porous defect sites that can serve as atomic storage sites for alkali metals. Compared with C3N4, the most widely reported carbon nitride family, g-CN is structurally stable without graphitic nitrogen. However, the adsorption energy of Li/Na/K in the pore size is too negative (-2.60/-2.99/-3.11 eV) to be desorbed, and the high diffusion barrier of Li/Na/K ion (2.94/3.11/2.43 eV) implies the low charge/discharge rate for metal-ion batteries. Here, we showed that doping B atoms into the pore sites of g-CN (BC3N3) possess some advantages for application in batteries. Specifically, the BC3N3 monolayer has excellent stability, with moderate adsorption ability for Na/K (-0.54/-0.98 eV) and a much lower diffusion barrier of ion (0.73/0.35 eV). BC3N3 shows excellent theoretical specific capacity (603.30/904.95 mAh/g) and low average open-circuit voltage as an anode material for Na/K-ion batteries. Moreover, under a small amount of alkali metal adsorption, BC3N3 exhibits metallic properties and the electrical conductivity of BC3N3 is improved. These favorable properties indicate that the B-doped g-CN monolayer is a promising anode material for Na/K ion batteries and this approach can be extended to other porous carbon-nitrogen structures.
Keyword ：
Anode materials Anode materials B-doped g-CN B-doped g-CN Density functional theory Density functional theory K-ion batteries K-ion batteries Na Na
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| GB/T 7714 | Xia, Xiaoying , Yin, Huimin , Zhang, Yongfan et al. Boron-doped g-CN monolayer as a promising anode for Na/K-ion batteries [J]. | SURFACES AND INTERFACES , 2023 , 36 . |
| MLA | Xia, Xiaoying et al. "Boron-doped g-CN monolayer as a promising anode for Na/K-ion batteries" . | SURFACES AND INTERFACES 36 (2023) . |
| APA | Xia, Xiaoying , Yin, Huimin , Zhang, Yongfan , Huang, Shuping . Boron-doped g-CN monolayer as a promising anode for Na/K-ion batteries . | SURFACES AND INTERFACES , 2023 , 36 . |
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